Cas no 438225-30-0 (8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid)

8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid is a quinoline derivative with a carboxylic acid functional group, exhibiting potential utility in pharmaceutical and chemical research. Its structural features, including the methyl-substituted quinoline core and the 3-methylphenyl moiety, contribute to its unique physicochemical properties, such as enhanced lipophilicity and binding affinity. This compound is of interest in medicinal chemistry for its potential as a scaffold in drug discovery, particularly in targeting enzymes or receptors where quinoline-based structures are active. The carboxylic acid group allows for further derivatization, enabling the synthesis of esters, amides, or other functionalized analogs. Its well-defined structure and purity make it suitable for analytical and synthetic applications.
8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid structure
438225-30-0 structure
Product Name:8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid
CAS No:438225-30-0
MF:C18H15NO2
MW:277.317204713821
MDL:MFCD03074915
CID:1067254
PubChem ID:842870
Update Time:2025-05-26

8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 8-Methyl-2-(m-tolyl)quinoline-4-carboxylic acid
    • 8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic acid
    • 8-methyl-2-(3-methylphenyl)quinoline-4-carboxylic acid(SALTDATA: FREE)
    • AC1LHRTE
    • ALBB-000506
    • BBL017430
    • CTK4I7779
    • MolPort-001-624-962
    • Oprea1_438048
    • STK447331
    • VS-06152
    • CS-0317795
    • 8-METHYL-2-(3-METHYLPHENYL)QUINOLINE-4-CARBOXYLICACID
    • AKOS003300255
    • SB69279
    • 438225-30-0
    • DTXSID80357089
    • MFCD03074915
    • 8-methyl-2-(3-methylphenyl)-4-quinolinecarboxylic acid
    • AK-968/41171115
    • 8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid
    • MDL： MFCD03074915
    • Inchi： 1S/C18H15NO2/c1-11-5-3-7-13(9-11)16-10-15(18(20)21)14-8-4-6-12(2)17(14)19-16/h3-10H,1-2H3,(H,20,21)
    • InChI Key： STEZHJHHVQYNQZ-UHFFFAOYSA-N
    • SMILES： OC(C1C=C(C2C=CC=C(C)C=2)N=C2C(C)=CC=CC2=1)=O

Computed Properties

  • Exact Mass: 277.110278721g/mol
  • Monoisotopic Mass: 277.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 383
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 470.7±33.0 °C at 760 mmHg
  • Flash Point: 238.5±25.4 °C
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid Security Information

8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid Pricemore >>

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8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid Related Literature

Additional information on 8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid

Comprehensive Overview of 8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid (CAS No. 438225-30-0)

8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid (CAS No. 438225-30-0) is a specialized quinoline derivative with significant applications in pharmaceutical research and organic synthesis. This compound, characterized by its unique quinoline-4-carboxylic acid backbone, has garnered attention due to its potential role in drug discovery, particularly in the development of small-molecule inhibitors and bioactive agents. Researchers are increasingly exploring its structure-activity relationships (SAR) to optimize its efficacy in targeting specific biological pathways.

The molecular structure of 8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid features a methyl-substituted quinoline core, which enhances its lipophilicity and binding affinity to protein targets. This property makes it a valuable scaffold in medicinal chemistry, especially for designing compounds with improved pharmacokinetic profiles. Recent studies highlight its relevance in addressing inflammatory diseases and metabolic disorders, aligning with current trends in precision medicine and personalized therapeutics.

In the context of green chemistry, synthetic routes for CAS No. 438225-30-0 are being refined to minimize environmental impact. Innovations such as catalytic C-H activation and microwave-assisted synthesis have been employed to improve yield and reduce waste. These advancements resonate with the growing demand for sustainable chemical practices, a topic frequently searched in academic and industrial forums.

Analytical characterization of 8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid typically involves techniques like HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure purity and confirm structural integrity, critical for its use in high-throughput screening (HTS) campaigns. The compound’s chromatographic behavior and solubility properties are also key considerations for formulation scientists.

From a commercial perspective, CAS No. 438225-30-0 is available through specialized chemical suppliers catering to pharmaceutical intermediates and research reagents. Its pricing and availability are influenced by factors such as batch scalability and regulatory compliance, topics often queried by procurement professionals. Additionally, its inclusion in compound libraries for virtual screening underscores its utility in early-stage drug discovery.

Future research directions for 8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid may explore its polypharmacology potential or its role in multi-target therapies. As the scientific community prioritizes AI-driven drug design, this compound could serve as a template for machine learning models predicting novel bioactive molecules. Such intersections of chemistry and technology are highly searched topics in contemporary literature.

In summary, 8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic Acid (CAS No. 438225-30-0) represents a versatile chemical entity with broad relevance in modern science. Its applications span from medicinal chemistry to material science, making it a compound of enduring interest. Ongoing innovations in synthesis and characterization will likely expand its utility further, solidifying its place in the toolkit of researchers worldwide.

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